SCHEMBL11097889

SCHEMBL11097889

CC(=O)Nc1ccc(N)c(C(=O)O)c1.Nc1cc(C(=O)O)ccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.47
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
GFER P55789 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GLA P06280 1/20 0.45
THRB P10828 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RCE1 Q9Y256 1/20 0.45
HDAC1 Q13547 6/20 0.44
NEU3 Q9UQ49 1/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL258439 0.88 MYC (0.56) MYCKDM4EALDH1A1MAPTGFER
SCHEMBL31597491 0.88 MYC (0.56) MYCKDM4EALDH1A1MAPTGFER
SCHEMBL2030008 0.88 MYC (0.56) MYCKDM4EALDH1A1MAPTGFER
SCHEMBL973116 0.85 TDP1 (0.54) MYCKDM4EALDH1A1MAPTL3MBTL1
SCHEMBL11097894 0.80 HDAC1 (0.47) MYCKDM4EALDH1A1GAAMAPT
Acetone SCHEMBL28917563 0.80 KDM4E (0.50) MYCKDM4EALDH1A1GAAMAPT
Methyl Alcohol SCHEMBL28847001 0.78 KDM4E (0.52) MYCKDM4EALDH1A1GAAMAPT
SCHEMBL30162845 0.78 KDM4E (0.55) MYCKDM4EALDH1A1GAAMAPT
SCHEMBL143267 0.78 KDM4E (0.55) MYCKDM4EALDH1A1GAAMAPT
SCHEMBL29377257 0.78 KDM4E (0.55) MYCKDM4EALDH1A1GAAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0099721-A1 Reactive metal formazan blue dye SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-02-01 EP disclosed